CID 205528

Pseudourea, 2-(2-(diethylamino)ethyl)-1,3-dimethyl-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C9H21N3S
SMILES
CCN(CC)CCSC(=NC)NC
InChI
InChI=1S/C9H21N3S/c1-5-12(6-2)7-8-13-9(10-3)11-4/h5-8H2,1-4H3,(H,10,11)
InChIKey
LSBDUXHNCOYQPP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N,N'-dimethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14561 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15289 149.7
[M+Na]+ 226.13483 153.8
[M-H]- 202.13833 152.3
[M+NH4]+ 221.17943 169.9
[M+K]+ 242.10877 153.6
[M+H-H2O]+ 186.14287 142.4
[M+HCOO]- 248.14381 170.8
[M+CH3COO]- 262.15946 198.7
[M+Na-2H]- 224.12028 151.1
[M]+ 203.14506 153.1
[M]- 203.14616 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.